2-(2-aminoethyl)-3-chloro-4-methylphenol

C9H12ClNO — CID 84769890

IUPAC2-(2-aminoethyl)-3-chloro-4-methylphenol
SMILESCc1ccc(O)c(CCN)c1Cl
InChIInChI=1S/C9H12ClNO/c1-6-2-3-8(12)7(4-5-11)9(6)10/h2-3,12H,4-5,11H2,1H3
InChIKeyMKGZIBQETUCJRX-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.86
Rot. Bonds2

About 2-(2-aminoethyl)-3-chloro-4-methylphenol

2-(2-aminoethyl)-3-chloro-4-methylphenol (PubChem CID 84769890) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-chloro-4-methylphenol.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-chloro-4-methylphenol
PubChem CID84769890
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-(2-aminoethyl)-3-chloro-4-methylphenol
SMILESCc1ccc(O)c(CCN)c1Cl
InChIInChI=1S/C9H12ClNO/c1-6-2-3-8(12)7(4-5-11)9(6)10/h2-3,12H,4-5,11H2,1H3
InChIKeyMKGZIBQETUCJRX-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719
2-(2-chloro-6-hydroxy-3-methylphenyl)acetonitrile
CID 84768638
2-(3-aminopropyl)-3-chloro-4-fluorophenol
CID 83881714
3-(2-aminoethyl)-2-methoxy-4-methylphenol
CID 117278761
2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol
CID 84669167
2-(3-aminopropyl)-3-bromo-4-methylphenol
CID 84802468
2-chloro-3-dodecylbenzene-1,4-diol
CID 54013851
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
3-chloro-4-methyl-2-(piperazin-1-ylmethyl)phenol
CID 84800713
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
2-(aminomethyl)-3-bromo-4-methylphenol
CID 84784553
3,4-bis(2-aminoethyl)-2-nonylphenol
CID 160520570

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-chloro-4-methylphenol?
The IUPAC name of 2-(2-aminoethyl)-3-chloro-4-methylphenol (CID 84769890) is 2-(2-aminoethyl)-3-chloro-4-methylphenol.
What is the SMILES notation for 2-(2-aminoethyl)-3-chloro-4-methylphenol?
The canonical SMILES for 2-(2-aminoethyl)-3-chloro-4-methylphenol is Cc1ccc(O)c(CCN)c1Cl.
What is the InChIKey of 2-(2-aminoethyl)-3-chloro-4-methylphenol?
The InChIKey is MKGZIBQETUCJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-2-3-8(12)7(4-5-11)9(6)10/h2-3,12H,4-5,11H2,1H3.
What are the key properties of 2-(2-aminoethyl)-3-chloro-4-methylphenol?
2-(2-aminoethyl)-3-chloro-4-methylphenol has a molecular weight of 185.65 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-chloro-4-methylphenol is sourced from PubChem (CID 84769890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).